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Assay Detail

CHEMBL4385489

Review assay metadata, readout intent, target linkage, and publication context from the same page.

ADMET
Cytotoxicity against human THLE cells
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
Schnute ME, Benoit SE, Buchler IP, Caspers N, Grapperhaus ML, Han S, Hotchandani R, Huang N, Hughes RO, Juba BM, Kim KH, Liu E, McCarthy E, Messing D, Miyashiro JS, Mohan S, O'Connell TN, Ohren JF, Parikh MD, Schmidt M, Selness SR, Springer JR, Thanabal V, Trujillo JI, Walker DP, Wan ZK, Withka JM, Wittwer AJ, Wood NL, Xing L, Zapf CW, Douhan J.
ACS Med Chem Lett (2019) 10 : 80 -85
PubMed 30655951 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 4.65 5.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4559065 1 5.10
CHEMBL1873475 IBRUTINIB 4.0 1 4.96
CHEMBL4442732 1 4.82
CHEMBL4572913 1 4.82
CHEMBL4440096 1 4.37
CHEMBL4556666 1 4.31
CHEMBL4591391 1 4.17
CHEMBL4560385 1 -
CHEMBL4518667 1 -
CHEMBL4548556 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4559065 IC50 = 8000.0 nM 5.10
CHEMBL1873475 IBRUTINIB IC50 = 11000.0 nM 4.96
CHEMBL4442732 IC50 = 15000.0 nM 4.82
CHEMBL4572913 IC50 = 15000.0 nM 4.82
CHEMBL4440096 IC50 = 43000.0 nM 4.37
CHEMBL4556666 IC50 = 49000.0 nM 4.31
CHEMBL4591391 IC50 = 67000.0 nM 4.17
CHEMBL4560385 IC50 = 137000.0 nM -
CHEMBL4518667 IC50 - -
CHEMBL4548556 IC50 = 149000.0 nM -